SCHEMBL20188385

SCHEMBL20188385

COc1cccc(OC)c1NC(=S)c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.46
HSP90AA1 P07900 1/20 0.46
GAA P10253 1/20 0.46
AGTR1 P30556 1/20 0.46
CYP1A2 P05177 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5691055 0.81 RAB9A (0.63) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL20187956 0.80 POLB (0.41) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL20189212 0.78 RAB9A (0.43) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL20189213 0.78 RAB9A (0.43) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL20187963 0.78 KMT2A (0.41) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL23026172 0.77 HPGD (0.44) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL15484253 0.74 HPGD (0.51) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL20187863 0.73 S1PR2 (0.38) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL19573888 0.72 KMT2A (0.45) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL9021594 0.71 CA12 (0.46) ALDH1A1KMT2AMAPTMEN1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
EP-3541792-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 EP disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 US disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 US disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR ALDH1A1 1700/4885KMT2A 4607/4885MAPT 4334/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR ALDH1A1 1700/4885KMT2A 4607/4885MAPT 4334/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.